[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)OC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C12H11N3O4S/c1-6(10(16)15-12(13)18)19-11(17)7-2-3-8-9(4-7)20-5-14-8/h2-6H,1H3,(H3,13,15,16,18)/t6-/m0/s1